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首页> 外文期刊>The Journal of Chemical Physics >Size-dependent dynamics in excited states of gold clusters:From oscillatory motion to photoinduced melting
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Size-dependent dynamics in excited states of gold clusters:From oscillatory motion to photoinduced melting

机译:金团簇激发态中尺寸相关的动力学:从振荡运动到光诱导熔化

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Femtosecond time resolved photoelectron spectroscopy in combination with direct ab initio molecular dynamics "on the fly" based on density functional theory has been used to study the relaxation dynamics of optically excited states in small mass selected anionic gold clusters (Au_n~-n=5-8).The nature of the dynamics strongly depends on the cluster size and structure.Oscillatory wavepacket motion (Au_5~-),a long lived excited state (Au_6~-),as well as photoinduced melting (Au_7~-,Au_8~-) is observed in real time.This illustrates nonscalable properties of excited states in clusters in the size regime,in which each atom counts.
机译:飞秒时间分辨光电子能谱结合基于密度泛函理论的“从头开始”直接从头算起的分子动力学已被用于研究小质量选择阴离子金团簇(Au_n〜-n = 5-)中光激发态的弛豫动力学。 8)。动力学的性质在很大程度上取决于簇的大小和结构。振荡波包运动(Au_5〜-),长寿命激发态(Au_6〜-)以及光致熔化(Au_7〜-,Au_8〜-) )是实时观察到的。这说明了在大小体系中簇中激发态的不可缩放性质,其中每个原子都在计数。

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